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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Dec-2020 | A_nitrile_unbound_ylide | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | Single point Structure | UB3LYP | GENECP | - | |||
 | 28-Dec-2020 | W_prop_Rh_bound_ylide | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | Single point Structure | UB3LYP | GENECP | - | |||
 | 28-Dec-2020 | A_nitrile_Rh_bound_ylide_TSS | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | Single point Structure | UB3LYP | 6-31G(D) | - | |||
 | 28-Dec-2020 | W_prop_free_ylide | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | Single point Structure | UB3LYP | 6-31G(D) | - | |||
 | 7-Dec-2021 | NH2 | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM062X | 6-311+G(D,P) | - | |||
 | 7-Dec-2021 | F | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM062X | 6-311+G(D,P) | - | |||
 | 7-Dec-2021 | Cl_prot_amine | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM062X | 6-311+G(D,P) | - | |||
 | 7-Dec-2021 | F_prot_amine | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM062X | 6-311+G(D,P) | - | |||
 | 7-Dec-2021 | 5_prime | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM062X | 6-311+G(D,P) | - | |||
 | 7-Dec-2021 | NO2 | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM062X | 6-311+G(D,P) | - |
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